N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3-methylthiophene-2-carboxamide

C17H21FN2OS — CID 110281862

IUPACN-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NC(CCN(C)C)c1ccc(F)cc1
InChIInChI=1S/C17H21FN2OS/c1-12-9-11-22-16(12)17(21)19-15(8-10-20(2)3)13-4-6-14(18)7-5-13/h4-7,9,11,15H,8,10H2,1-3H3,(H,19,21)
InChIKeyVJZQCKUFQYKSKA-UHFFFAOYSA-N
MW320.43 g/mol
LogP3.62
Rot. Bonds6

About N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3-methylthiophene-2-carboxamide

N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3-methylthiophene-2-carboxamide (PubChem CID 110281862) has the molecular formula C17H21FN2OS and a molecular weight of 320.43 g/mol. Its IUPAC name is N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3-methylthiophene-2-carboxamide
PubChem CID110281862
Molecular FormulaC17H21FN2OS
Molecular Weight320.43 g/mol
Exact Mass320.14
IUPAC NameN-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NC(CCN(C)C)c1ccc(F)cc1
InChIInChI=1S/C17H21FN2OS/c1-12-9-11-22-16(12)17(21)19-15(8-10-20(2)3)13-4-6-14(18)7-5-13/h4-7,9,11,15H,8,10H2,1-3H3,(H,19,21)
InChIKeyVJZQCKUFQYKSKA-UHFFFAOYSA-N
XLogP3.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-hydroxy-5-N-[(1R)-1-phenylethyl]thiophene-2,5-dicarboxamide
CID 10017099
Thiophene derivative, 3d
CID 15984018
Thiophene derivative, 3b
CID 25023796
Thiophene derivative, 3e
CID 25023798
2,2,2-trifluoro-1-[5-({[(1R)-1-phenylethyl]amino}methyl)thiophen-2-yl]ethan-1-one
CID 25023812
3-methyl-N-[(4-methylphenyl)methyl]thiophene-2-carboxamide
CID 841341
5-methyl-N-(4-methylbenzyl)-2-thiophenecarboxamide
CID 1224525
N-(2-ethylhexyl)-2-thiophenecarboxamide
CID 2915198
N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide
CID 2255653
N-(2-Phenylethyl)-2-thiophenecarboxamide
CID 728650
4-methyl-N-[2-(2-thienyl)ethyl]benzamide
CID 1511023
4-[(3R)-3-{[2-oxo-2-(thiophen-3-yl)ethyl]amino}butyl]benzamide
CID 23647084

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3-methylthiophene-2-carboxamide (CID 110281862) is N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)NC(CCN(C)C)c1ccc(F)cc1.
What is the InChIKey of N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3-methylthiophene-2-carboxamide?
The InChIKey is VJZQCKUFQYKSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2OS/c1-12-9-11-22-16(12)17(21)19-15(8-10-20(2)3)13-4-6-14(18)7-5-13/h4-7,9,11,15H,8,10H2,1-3H3,(H,19,21).
What are the key properties of N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3-methylthiophene-2-carboxamide?
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3-methylthiophene-2-carboxamide has a molecular weight of 320.43 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 110281862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).